Charge distribution in the water molecule--a comparison of methods

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Updated: Aug 20, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

F Martin1, H Zipse

  • 1Department Chemie, LMU München, Butenandstr. 13, D-81377 München, Germany.

Journal of Computational Chemistry
|November 18, 2004
PubMed

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